Information card for entry 4340796

Structure parameters

• Formula: C54 H62 Co4 N3 O25
• Calculated formula: C54 H57 Co4 N3 O26
• Title of publication: Surfactant media to grow new crystalline cobalt 1,3,5-benzenetricarboxylate metal-organic frameworks.
• Authors of publication: Lu, Hai-Sheng; Bai, Linlu; Xiong, Wei-Wei; Li, Peizhou; Ding, Junfeng; Zhang, Guodong; Wu, Tom; Zhao, Yanli; Lee, Jong-Min; Yang, Yanhui; Geng, Baoyou; Zhang, Qichun
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8529 - 8537
• a: 11.2534 ± 0.0001 Å
• b: 16.2117 ± 0.0002 Å
• c: 33.8757 ± 0.0004 Å
• α: 90°
• β: 102.463 ± 0.001°
• γ: 90°
• Cell volume: 6034.54 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No